SCHEMBL16218979

SCHEMBL16218979

CCOC(=O)[C@@H](O)[C@@H]1OC(=O)c2cc(C)c(C)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ NPC1 O15118 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14965971 0.85 CYP3A4 (0.41) POLBALDH1A1KDM4EHSD17B10LMNA
SCHEMBL16209422 0.85 CYP3A4 (0.41) POLBALDH1A1KDM4EHSD17B10LMNA
SCHEMBL16218980 0.85 KDM4E (0.40) ARPOLBALDH1A1KDM4EHSD17B10
SCHEMBL14970289 0.83 CYP2D6 (0.41) POLBALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL14966326 0.83 POLB (0.51) POLBALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL14966371 0.83 POLB (0.39) POLBALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL14966369 0.83 POLB (0.39) POLBALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL14966093 0.82 CYP1A1 (0.48) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL16209980 0.79 MAPT (0.44) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL14970264 0.78 CYP3A4 (0.43) POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505733-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 — — US disclosed
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-22 — — US disclosed
US-9073887-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-07 — — US disclosed
US-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 AR 435/4885POLB 1422/4885ALDH1A1 406/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 AR 435/4885POLB 1422/4885ALDH1A1 406/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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